2-methyl-2-[3-{1-[4-methyl-2-(4-trifluoromethylphenyl)thiazol-5-yl]propyloxy}benzyloxy]propionic acid | 438577-56-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-methyl-2-[3-{1-[4-methyl-2-(4-trifluoromethylphenyl)thiazol-5-yl]propyloxy}benzyloxy]propionic acid
• 英文别名: 2-Methyl-2-[[3-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenyl]methoxy]propanoic acid
• CAS: 438577-56-1
• 化学式: C₂₅H₂₆F₃NO₄S
• 分子量: 493.547
• InChiKey: YPDJBRIAQLVHSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  96.9
• 氢给体数：
  1
• 氢受体数：
  9

文献信息

• Substituted oxazoles and thiazoles as hppar alpha agonists
  申请人：——

  公开号：US20040147571A1

  公开（公告）日：2004-07-29

  Compounds of formula (I) and pharmaceutically acceptable salts, solvates and hydrolysable esters thereof wherein X is O or S; X 1 is O or S; X is S or O; R 1 and R 2 are independently H, methyl, or halogen; R 4 and R 5 are independently H or C 1-3 alkyl or R 4 and R 5 may, together with the carbon atom to which they are bonded, form a 3-5 membered cycloalkyl ring; R 6 and R 7 are independently H, C 1-3 alkyl, or allyl; each R 3 is independently halogen, C 1-6 straight or branched alkyl, or CF 3 ; and y is 0, 1, 2, 3, 4 or 5 act as hPPAR alpha agonists.

  化合物的式（I）及其药学上可接受的盐，溶剂化物和可水解酯，其中X为O或S；X1为O或S；X为S或O；R1和R2独立地为H、甲基或卤素；R4和R5独立地为H或C1-3烷基或R4和R5可以与它们所连接的碳原子一起形成3-5成员的环烷基环；R6和R7独立地为H、C1-3烷基或烯丙基；每个R3独立地为卤素、C1-6直链或支链烷基或CF3；y为0、1、2、3、4或5，可以作为hPPAR alpha激动剂。
• SUBSTITUTED OXAZOLES AND THIAZOLES AS HPPAR ALPHA AGONISTS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1345916A1

  公开（公告）日：2003-09-24
• US7091225B2
  申请人：——

  公开号：US7091225B2

  公开（公告）日：2006-08-15
• [EN] SUBSTITUED OXAZOLES AND THIAZOLES AS HPPAR ALPHA AGONISTS<br/>[FR] OXAZOLES ET THIAZOLES SUBSTITUES UTILES EN TANT QU'AGONISTES DE HPPAR ALPHA
  申请人：GLAXO GROUP LTD

  公开号：WO2002050047A1

  公开（公告）日：2002-06-27

  Compounds of formula (I) and pharmaceutically acceptable salts, solvates and hydrolysable esters thereof wherein X is O or S; X1 is O or S; X is S or O; R?1 and R2¿ are independently H, methyl, or halogen; R?4 and R5¿ are independently H or C¿1-3? alkyl or R?4 and R5¿ may, together with the carbon atom to which they are bonded, form a 3-5 membered cycloalkyl ring; R?6 and R7¿ are independently H, C¿1-3? alkyl, or allyl; each R?3¿ is independently halogen, C¿1-6? straight or branched alkyl, or CF3; and y is 0, 1, 2, 3, 4 or 5 act as hPPAR alpha agonists.